N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide

C16H28N4O — CID 71459241

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide
SMILESCC(C)(C)c1cc(NC(=O)CCCN2CCCCC2)n[nH]1
InChIInChI=1S/C16H28N4O/c1-16(2,3)13-12-14(19-18-13)17-15(21)8-7-11-20-9-5-4-6-10-20/h12H,4-11H2,1-3H3,(H2,17,18,19,21)
InChIKeyOGPREQIZGSIMHW-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.91
Rot. Bonds5

About N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide (PubChem CID 71459241) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide
PubChem CID71459241
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide
SMILESCC(C)(C)c1cc(NC(=O)CCCN2CCCCC2)n[nH]1
InChIInChI=1S/C16H28N4O/c1-16(2,3)13-12-14(19-18-13)17-15(21)8-7-11-20-9-5-4-6-10-20/h12H,4-11H2,1-3H3,(H2,17,18,19,21)
InChIKeyOGPREQIZGSIMHW-UHFFFAOYSA-N
XLogP2.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide (CID 71459241) is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide is CC(C)(C)c1cc(NC(=O)CCCN2CCCCC2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide?
The InChIKey is OGPREQIZGSIMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-16(2,3)13-12-14(19-18-13)17-15(21)8-7-11-20-9-5-4-6-10-20/h12H,4-11H2,1-3H3,(H2,17,18,19,21).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide has a molecular weight of 292.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 71459241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).